SCHEMBL4281201

SCHEMBL4281201

O=C(c1ccccc1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA4 P22748 2/20 0.58
CA9 Q16790 2/20 0.58
HCRTR1 O43613 8/20 0.50
HCRTR2 O43614 8/20 0.50
REN P00797 2/20 0.50
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
DPP4 P27487 3/20 0.48
DPP7 Q9UHL4 2/20 0.47
CHRNB2 P17787 2/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNA4 P43681 2/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4281205 1.00 CA1 (0.58) CA1CA2CA4CA9HCRTR1
SCHEMBL4277249 0.92 CA1 (0.53) CA1CA2CA4CA9HCRTR1
SCHEMBL4277247 0.92 CA1 (0.53) CA1CA2CA4CA9HCRTR1
SCHEMBL4280495 0.87 CA1 (0.55) CA1CA2CA4CA9HCRTR1
SCHEMBL4280492 0.87 CA1 (0.55) CA1CA2CA4CA9HCRTR1
SCHEMBL4283179 0.87 CA1 (0.51) CA1CA2CA4CA9HCRTR1
SCHEMBL4283171 0.87 CA1 (0.51) CA1CA2CA4CA9HCRTR1
SCHEMBL4276965 0.85 CA1 (0.51) CA1CA2CA4CA9HCRTR1
SCHEMBL4276963 0.85 CA1 (0.51) CA1CA2CA4CA9HCRTR1
SCHEMBL4288010 0.83 CA1 (0.58) CA1CA2CA4CA9HCRTR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105251-A1 Renin inhibitors TAKEDA SAN DIEGO, INC. 2009-04-23 US claimed
US-20090105251-A1 Renin inhibitors TAKEDA SAN DIEGO, INC. 2009-04-23 US disclosed
US-20090105251-A1 Renin inhibitors TAKEDA SAN DIEGO, INC. 2009-04-23 US disclosed
US-20090105251-A1 Renin inhibitors TAKEDA SAN DIEGO, INC. 2009-04-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090105251-A1 Renin inhibitors REN, ACE, AGT CA1 1185/4885CA2 275/4885CA4 379/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.